Methyl cation
- Formula: CH3+
- Molecular weight: 15.0340
- IUPAC Standard InChI: InChI=1S/CH3/h1H3/q+1
- IUPAC Standard InChIKey: JUHDUIDUEUEQND-UHFFFAOYSA-N
- CAS Registry Number: 14531-53-4
- Chemical structure:
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Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: A 1E'
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 50510 ± 280 | gas | Dyke, Jonathan, et al., 1976 | |||||
State: a 3E'
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| To = 39700 ± 280 | gas | Dyke, Jonathan, et al., 1976 | |||||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a2 | 2 | OPLA | 1359 ± 7 | gas | TPE PD | Koenig, Balle, et al., 1975 Dyke, Jonathan, et al., 1976 Liu, Gross, et al., 2001 Cunha de Miranda, Alcaraz, et al., 2010 | |
| e' | 3 | CH stretch | 3108.38 | gas | LD | Crofton, Kreiner, et al., 1985 Crofton, Jagod, et al., 1988 Jagod, Gabrys, et al., 1994 | |
| 3 | CH stretch | 3115.05 | T H | gas | PF | Olkhov, Nizkorodov, et al., 1999 | |
| 3 | CH stretch | 3119.37 | T | gas | PF | Dopfer, Olkhov, et al., 2000 | |
| 3 | CH stretch | 3145 ± 30 | A | gas | PF | Olkhov, Nizkorodov, et al., 1998 | |
| 4 | Deformation | 1370 ± 7 | gas | PD | Liu, Gross, et al., 2001 | ||
Additional references: Jacox, 1994, page 124; Jacox, 1998, page 213; Jacox, 2003, page 156; Dickinson, Chelmick, et al., 2001; Schulenburg, Alcaraz, et al., 2006
Notes
| H | (1/2)(2ν) |
| T | Tentative assignment or approximate value |
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
| A | 0~1 cm-1 uncertainty |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dyke, Jonathan, et al., 1976
Dyke, J.; Jonathan, N.; Lee, E.; Morris, A.,
J. Chem. Soc., 1976, Faraday Trans. 2 72, 1385. [all data]
Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W.,
Helium(I) photoelectron spectra of organic radicals,
J. Am. Chem. Soc., 1975, 97, 662. [all data]
Liu, Gross, et al., 2001
Liu, X.; Gross, R.L.; Suits, A.G.,
"Heavy Electron" Photoelectron Spectroscopy: Rotationally Resolved Ion Pair Imaging of CH3+,
Science, 2001, 294, 5551, 2527, https://doi.org/10.1126/science.1066595
. [all data]
Cunha de Miranda, Alcaraz, et al., 2010
Cunha de Miranda, B.K.; Alcaraz, C.; Elhanine, M.; Noller, B.; Hemberger, P.; Fischer, I.; Garcia, G.A.; Soldi-Lose, H., et al.,
Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH,
J. Phys. Chem. A, 2010, 114, 14, 4818, https://doi.org/10.1021/jp909422q
. [all data]
Crofton, Kreiner, et al., 1985
Crofton, M.W.; Kreiner, W.A.; Jagod, M.-F.; Rehfuss, G.D.; Oka, T.,
Observation of the infrared spectrum of methyl cation CH+3,
J. Chem. Phys., 1985, 83, 7, 3702, https://doi.org/10.1063/1.449125
. [all data]
Crofton, Jagod, et al., 1988
Crofton, M.W.; Jagod, M.-F.; Rehfuss, B.D.; Kreiner, W.A.; Oka, T.,
Infrared spectroscopy of carbo-ions. III. ν3 band of methyl cation CH+3,
J. Chem. Phys., 1988, 88, 2, 666, https://doi.org/10.1063/1.454194
. [all data]
Jagod, Gabrys, et al., 1994
Jagod, M.-F.; Gabrys, C.M.; Rosslein, M.; Uy, D.; Oka, T.,
Infrared spectrum of CH,
Can. J. Phys., 1994, 72, 11-12, 1192, https://doi.org/10.1139/p94-153
. [all data]
Olkhov, Nizkorodov, et al., 1999
Olkhov, R.V.; Nizkorodov, S.A.; Dopfer, O.,
Intermolecular interaction in the CH[sub 3][sup +]--He ionic complex revealed by ab initio calculations and infrared photodissociation spectroscopy,
J. Chem. Phys., 1999, 110, 19, 9527, https://doi.org/10.1063/1.478917
. [all data]
Dopfer, Olkhov, et al., 2000
Dopfer, O.; Olkhov, R.V.; Maier, J.P.,
Microsolvation of the methyl cation in neon: Infrared spectra and ab initio calculations of CH[sub 3][sup +]--Ne and CH[sub 3][sup +]--Ne[sub 2],
J. Chem. Phys., 2000, 112, 5, 2176, https://doi.org/10.1063/1.480783
. [all data]
Olkhov, Nizkorodov, et al., 1998
Olkhov, R.V.; Nizkorodov, S.A.; Dopfer, O.,
Infrared photodissociation spectra of CH[sub 3][sup +]--Ar[sub n] complexes (n=1--8),
J. Chem. Phys., 1998, 108, 24, 10046, https://doi.org/10.1063/1.476465
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Dickinson, Chelmick, et al., 2001
Dickinson, H.; Chelmick, T.; Softley, T.P.,
(2+1´) mass analyzed threshold ionization (MATI) spectroscopy of the CD3 radical,
Chem. Phys. Lett., 2001, 338, 1, 37, https://doi.org/10.1016/S0009-2614(01)00229-9
. [all data]
Schulenburg, Alcaraz, et al., 2006
Schulenburg, A.M.; Alcaraz, Ch.; Grassi, G.; Merkt, F.,
Rovibrational photoionization dynamics of methyl and its isotopomers studied by high-resolution photoionization and photoelectron spectroscopy,
J. Chem. Phys., 2006, 125, 10, 104310, https://doi.org/10.1063/1.2348875
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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